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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|December 3, 2013
Theoretical investigations on the molecular structure, vibrational spectra, thermodynamics, HOMO-LUMO, NBO analyses and paramagnetic susceptibility properties of p-(p-hydroxyphenoxy)benzoic acidV Balachandran, S Lalitha, S Rajeswari, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|April 18, 2013
2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parametersV K Rastogi, M Alcolea Palafox, Rashmi Tomar, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|April 24, 2013
The biomolecule of 5-bromocytosine: FT-IR and FT-Raman spectra and DFT calculations. Identification of the tautomers in the isolated state and simulation the spectra in the solid stateM Alcolea Palafox, V K Rastogi, Satendra Kumar, et al.International Journal of Molecular Sciences|July 18, 2019
Biomolecules of 2-Thiouracil, 4-Thiouracil and 2,4-Dithiouracil: A DFT Study of the Hydration, Molecular Docking and Effect in DNA:RNAMicrohelixesM Alcolea Palafox, A Milton Franklin Benial, V K RastogiSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|August 28, 2012
Solid state simulation of tetramer form of 5-aminoorotic acid: the vibrational spectra and molecular structure study by using MP2 and DFT calculationsS Ortiz, M Alcolea Palafox, V K Rastogi, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|September 10, 2003
Vibrational frequencies and structure of 2-thiouracil by Hartree-Fock, post-Hartree-Fock and density functional methodsM Alcolea Palafox, V K Rastogi, R P Tanwar, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 5, 2002
Ab initio calculations, FTIR and raman spectra of 2,3-difluorobenzonitrileM Alcolea Palafox, V K Rastogi, C Singh, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|March 26, 2013
Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum Perchlorate-DFT studyD Manimaran, C Jesintha John, V K Rastogi, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|August 28, 2013
Normal coordinate analysis and Nonlinear Optical Response of cross-conjugated system 4,4-Dimethyl BenzophenoneM Amalanathan, T S Xavier, I Hubert Joe, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|August 8, 2002
3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectraV K Rastogi, M Alcolea Palafox, R P Tanwar, et al.Pageof 5